9FPD
Crystal structure of human TAK1/TAB1 fusion protein in complex with compound S1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000032 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 58.280, 133.755, 144.725 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 2.402 |
| R-factor | 0.2086 |
| Rwork | 0.208 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.750 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.229 | 2.641 |
| High resolution limit [Å] | 2.354 | 2.354 |
| Rmerge | 0.110 | 1.190 |
| Rmeas | 0.118 | |
| Rpim | 0.042 | |
| Number of reflections | 12956 | 648 |
| <I/σ(I)> | 11.7 | 1.6 |
| Completeness [%] | 54.2 | 9.4 |
| Redundancy | 7.8 | 6.9 |
| CC(1/2) | 0.998 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris HCl pH 7.25, 0.9 M Tri-sodium citrate, 0.2 M sodium chloride, 10 mM DTT |
